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Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics) : Challenges and Advances in Computational Chemistry and Physics 10 - edition reliée, livre de poche

2010, ISBN: 1402099746

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Relativistic Methods for Chemists - Barysz, Maria / Ishikawa, Yasuyuki (ed.)
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2010, ISBN: 9781402099748

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Barysz, Maria Ishikawa, Yasuyuki:
Relativistic Methods for Chemists - Première édition

2010

ISBN: 9781402099748

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Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics, 10, Band 10) - edition reliée, livre de poche

2010, ISBN: 9781402099748

Springer, Gebundene Ausgabe, Auflage: 2010, 627 Seiten, Publiziert: 2010-04-30T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 9781402099748, 2.32 kg, Maschinenbau, Ingenieurwissenschafte… Plus…

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Maria Barysz:
Relativistic Methods for Chemists - edition reliée, livre de poche

2010, ISBN: 1402099746

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Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics, 10, Band 10)
Auteur:
Titre:
ISBN:

1402099746


"Relativistic Methods for Chemists", written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element's chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory. TOC:1. An Introduction to Relativistic Quantum Chemistry (W.H. Eugen Schwarz).- 2. Relativistic Effects and the Chemistry of the Heavier Main Group Elements (John S. Thayer).- 3. Why do we Need Relativistic Computational Methods? (Jacek Styszynski).- 4. Two-Component Relativistic Theories (Maria Barysz).- 5. Relativistic Density Functional Theory (Christoph van Wüllen).- 6. Relativistic Pseudopotentials (Xiaoyan Cao and Michael Dolg).- 7. Four-Component Electronic Structure Methods (Ephraim Eliav and Uzi Kaldor).- 8. The Effects Of Relativity in Materials Science: Core Electron-Spectra (R. Broer).- 9. Relativistic Symmetries in the Electronic Structure and Properties of Molecules (Devashis Majumdar, Szczepan Roszak, and Jerzy Leszczynski).- 10. Relativistic String-Based Electron Correlation Methods (Timo Fleig).- 11. Electronic Structure and Chemistry of the Heaviest Elements (V. Pershina).- 12. Relativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes (Jochen Autschbach).

Informations détaillées sur le livre - Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics, 10, Band 10)


EAN (ISBN-13): 9781402099748
ISBN (ISBN-10): 1402099746
Version reliée
Date de parution: 2010
Editeur: Barysz, Maria, Ishikawa, Yasuyuki, Springer
613 Pages
Poids: 1,053 kg
Langue: eng/Englisch

Livre dans la base de données depuis 2009-01-13T15:48:39+01:00 (Zurich)
Page de détail modifiée en dernier sur 2024-01-10T08:00:07+01:00 (Zurich)
ISBN/EAN: 1402099746

ISBN - Autres types d'écriture:
1-4020-9974-6, 978-1-4020-9974-8
Autres types d'écriture et termes associés:
Auteur du livre: ishikawa, yasuyuki, maria, bary
Titre du livre: methods computational chemistry, methods computational physics

Données de l'éditeur

Auteur: Maria Barysz; Yasuyuki Ishikawa
Titre: Challenges and Advances in Computational Chemistry and Physics; Relativistic Methods for Chemists
Editeur: Springer; Springer Netherland
613 Pages
Date de parution: 2010-04-30
Dordrecht; NL
Imprimé / Fabriqué en
Poids: 2,320 kg
Langue: Anglais
320,99 € (DE)
329,99 € (AT)
354,00 CHF (CH)
POD
XIV, 613 p.

BB; Theoretical and Computational Chemistry; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Computational Studies; Experimental Studies; Heavy Atoms; Heavy Elements; Relativistic Effects; Relativistic Methods; Relativistic Theory; Relativity; chemistry; Physical Chemistry; Materials Science, general; Inorganic Chemistry; Theoretical Chemistry; Physical Chemistry; Materials Science; Inorganic Chemistry; Physikalische Chemie; Materialwissenschaft; Anorganische Chemie; BC; EA

1. An Introduction to Relativistic Quantum Chemistry (W.H. Eugen Schwarz).- 2. Relativistic Effects and the Chemistry of the Heavier Main Group Elements (John S. Thayer).- 3. Why do we Need Relativistic Computational Methods? (Jacek Styszynski).- 4. Two-Component Relativistic Theories (Maria Barysz).- 5. Relativistic Density Functional Theory (Christoph van Wüllen).- 6. Relativistic Pseudopotentials (Xiaoyan Cao and Michael Dolg).- 7. Four-Component Electronic Structure Methods (Ephraim Eliav and Uzi Kaldor).- 8. The Effects Of Relativity in Materials Science: Core Electron-Spectra (R. Broer).- 9. Relativistic Symmetries in the Electronic Structure and Properties of Molecules (Devashis Majumdar, Szczepan Roszak, and Jerzy Leszczynski).- 10. Relativistic String-Based Electron Correlation Methods (Timo Fleig).- 11. Electronic Structure and Chemistry of the Heaviest Elements (V. Pershina).- 12. Relativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes (Jochen Autschbach).
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